def get_scene(scene):
display.set(CONFIG[scene]['image'])
toadd = [SCENE_PAGE_HEADER.format(scene)]
for title in CONFIG[scene]['moods']:
toadd.append(SCENE_PAGE_ELEMENT.format(title, scene))
toadd.append(SCENE_PAGE_FOOTER)
return ''.join(toadd)
def get_scene(scene):
display.set(CONFIG[scene]['image'])
toadd = [SCENE_PAGE_HEADER.format(scene)]
for title in CONFIG[scene]['moods']:
toadd.append(SCENE_PAGE_ELEMENT.format(title, scene))
toadd.append(SCENE_PAGE_FOOTER)
return ''.join(toadd)
def vmd_prepare_scene():
"""Change the lighting and background so it is the same for each image when rendering."""
VMD.evaltcl("light 1 off")
VMD.evaltcl("display shadows off")
color_display = color.get_colormap("Display")
color_display["Background"] = "white"
color.set_colormap("Display", color_display)
display.set(depthcue=0)
display.update()
display.update_ui()
def vmd_render_scene(image_out,
image_size=[2000, 2000],
renderer="TachyonLOptiXInternal",
frame_idx=0):
"""
Render the image using renderer with resolution image_size.
"""
disp_default_size = display.get("size")
# higher resolution
display.set(size=image_size)
display.update()
display.update_ui()
VMD.evaltcl("light 0 off")
render.render(renderer, "{}.ppm".format(image_out))
VMD.evaltcl("light 0 on")
image = Image.open("{}.ppm".format(image_out))
image.save("{}.png".format(image_out), format="PNG")
#display.set(size=disp_default_size)
display.update()
display.update_ui()
os.remove("{}.ppm".format(image_out))
def image2(self):
display.set("assets/graves.png")
return "ok"
def image(self):
display.set("assets/forest.png")
return "ok"
home)
#cbz_gaff2_lmpdat = "{}/Research/FORCE_FIELDS/AMBER/Molecules/CBZ_gaff2/4.2.test_MDs/Iteration_3-2/Iteration-3-2_best.lmpdat".format(home)
#cbz_gaff2_dcd = "{}/Research/FORCE_FIELDS/AMBER/Molecules/CBZ_gaff2/4.2.test_MDs/Iteration_3-2/Iteration-3-2_best_in_vacuo.dcd".format(home)
#cbz_gaff_lmpdat = "{}/Research/FORCE_FIELDS/AMBER/Molecules/CBZ_gaff2/4.2.test_MDs/Standard_gaff/CBZ.lmpdat".format(home)
#cbz_gaff_dcd = "{}/Research/FORCE_FIELDS/AMBER/Molecules/CBZ_gaff2/4.2.test_MDs/Standard_gaff/Standard_gaff_in_vacuo.dcd".format(home)
cbz_gaff2_lmpdat = "{}/Research/PAPERS/2017_12/CBZ_FF-evaluation/results/average_structures/cbz_gaff2_average.lmpdat".format(
home)
cbz_gaff_lmpdat = "{}/Research/PAPERS/2017_12/CBZ_FF-evaluation/results/average_structures/cbz_gaff_average.lmpdat".format(
home)
# change the scene
VMD.evaltcl("display shadows off")
color_display = color.get_colormap("Display")
color_display["Background"] = "white"
color.set_colormap("Display", color_display)
display.set(depthcue=0)
# load mol and change its representation
# geometry optimized cbz
licor_style = "Licorice 0.1 50 50"
sel_no_h = "not element H"
if molecule.exists(0) != 1:
molecule.load("xyz", cbz_gOpt)
molrep.modrep(0,
0,
sel=sel_no_h,
style=licor_style,
material="AOChalky",
color="ColorID 7")
def image2(self):
display.set("assets/graves.png")
return "ok"
def image(self):
display.set("assets/forest.png")
return "ok"